SCHEMBL7334284

SCHEMBL7334284

CN1C(=O)CN(C(CC(=O)OC(=O)C(F)(F)F)c2ccccc2)C(=O)c2cc(CCCCCNC(=N)N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.31
TACR1 P25103 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7331609 0.92 ITGB3 (0.33) ITGB3ITGA2BMEN1KMT2AGAA
SCHEMBL7324967 0.91 ITGB3 (0.32) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7328666 0.91 ITGB3 (0.39) ITGB3ITGA2BMEN1KMT2ATP53
SCHEMBL7327280 0.90 ITGB3 (0.32) ITGB3ITGA2BMEN1KMT2ATP53
Trifluoroacetic Acid SCHEMBL7334280 0.90 ITGB3 (0.42) ITGB3ITGA2BMEN1KMT2ATACR1
SCHEMBL7333455 0.90 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL9009310 0.89 ITGB3 (0.37) ITGB3ITGA2BMEN1KMT2ATP53
SCHEMBL7331386 0.89 ITGB3 (0.37) ITGB3ITGA2BMEN1KMT2ATP53
SCHEMBL7323600 0.88 ITGB3 (0.39) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7330627 0.86 ITGB3 (0.47) ITGB3ITGA2BGAATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed